CID 3038338

As-triazine-3(2h)-thione, 6-phenyl-

Structural Information

Molecular Formula
C9H7N3S
SMILES
C1=CC=C(C=C1)C2=NNC(=S)N=C2
InChI
InChI=1S/C9H7N3S/c13-9-10-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H,(H,10,12,13)
InChIKey
FSTKPYCQVNEYIO-UHFFFAOYSA-N
Compound name
6-phenyl-2H-1,2,4-triazine-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.03607 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.04335 137.0
[M+Na]+ 212.02529 152.7
[M+NH4]+ 207.06989 145.7
[M+K]+ 227.99923 143.2
[M-H]- 188.02879 140.3
[M+Na-2H]- 210.01074 146.8
[M]+ 189.03552 140.7
[M]- 189.03662 140.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.